[(E)-[1-amino-2-(2,4-dichlorophenyl)ethylidene]amino] cyclohexanecarboxylate
Formula:C15H18N2O2Cl2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:low
[(E)-[1-amino-2-(2,4-dichlorophenyl)ethylidene]amino] cyclohexanecarboxylate is a drug-like molecule.
| MolName | [(E)-[1-amino-2-(2,4-dichlorophenyl)ethylidene]amino] cyclohexanecarboxylate |
| MolecularFormula | C15H18N2O2Cl2 |
| Smiles | N/C(/Cc(ccc(Cl)c1)c1Cl)=N/OC(C1CCCCC1)=O |
| InChI | InChI=1S/C15H18Cl2N2O2/c16-12-7-6-11(13(17)9-12)8-14(18)19-21-15(20)10-4-2-1-3-5-10/h6-7,9-10H,1-5,8H2,(H2,18,19) |
| InChIK | FVCFDERJKJAGRH-UHFFFAOYSA-N |
| TotalMolweight | 329.226 |
| Molweight | 329.226 |
| MonoisotopicMass | 328.074532 |
| CLogP | 4.1825 |
| CLogS | -5.129 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 244.9 |
| Relative PSA | 0.20343 |
| PolarSurfaceArea | 64.68 |
| Druglikeness | -6.4477 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 8 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - [(E)-[1-amino-2-(2,4-dichlorophenyl)ethylidene]amino] cyclohexanecarboxylate | 2 - [(E)-[1-amino-2-(2,4-dichlorophenyl)ethylidene]amino] cyclohexanecarboxylate
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